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{
"id": "jvasp-74891",
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"structure_string": "K2 Be1 Si1\n1.0\n6.229902 0.000000 0.000000\n0.000000 6.229902 0.000000\n0.000000 0.000000 2.935873\nK Be Si\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.499999 Be\n0.500000 0.500000 0.499999 Si\n",
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{
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"structure_string": "Mg1 Al1 O1\n1.0\n3.267657 0.000000 -0.000000\n0.000000 3.267657 -0.000000\n-0.000000 -0.000000 6.228961\nMg Al O\n1 1 1\ndirect\n-0.000000 -0.000000 -0.019283 Mg\n0.000000 0.000000 0.419246 Al\n0.000000 0.000000 0.687243 O\n",
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{
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"structure_string": "C2 N4 O2\n1.0\n0.000000 0.000000 6.226533\n4.218151 -0.000000 -0.000000\n-0.000000 4.218151 -0.000000\nC N O\n2 4 2\ndirect\n0.362024 0.000000 0.500000 C\n0.637976 0.500000 0.000000 C\n0.166555 0.889558 0.389558 N\n0.833445 0.610442 0.889558 N\n0.166555 0.110442 0.610442 N\n0.833445 0.389558 0.110442 N\n0.555214 0.000000 0.500000 O\n0.444785 0.500000 0.000000 O\n",
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{
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"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
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{
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"created_at": "2022-09-04T14:36:00.905990Z",
"updated_at": "2022-09-04T14:36:00.906021Z",
"structure_string": "Li1 Be2 Cl1\n1.0\n2.869254 0.000000 0.000000\n0.000000 2.869254 0.000000\n0.000000 0.000000 7.258414\nLi Be Cl\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.751694 Be\n0.000000 0.000000 0.248305 Be\n0.499999 0.499999 0.000000 Cl\n",
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{
"id": "jvasp-112520",
"created_at": "2022-09-04T14:38:41.595143Z",
"updated_at": "2022-09-04T14:38:41.595169Z",
"structure_string": "Si5 H8 Cl4\n1.0\n7.116505 -0.022838 -1.661057\n-4.484552 5.525753 -1.661057\n0.010923 0.022838 7.307779\nSi H Cl\n5 8 4\ndirect\n0.250000 0.750000 0.499999 Si\n0.850074 0.613597 0.374220 Si\n0.239377 0.475854 0.625779 Si\n0.386402 0.760622 0.236476 Si\n0.524146 0.149925 0.763523 Si\n0.664844 0.327311 0.685347 H\n0.641964 0.979496 0.314651 H\n0.020503 0.335156 0.662468 H\n0.672688 0.358035 0.337531 H\n0.408555 0.221976 0.870872 H\n0.351103 0.537683 0.129127 H\n0.462316 0.591445 0.813421 H\n0.778023 0.648896 0.186578 H\n0.823764 0.814527 0.607711 Cl\n0.206816 0.216052 0.392288 Cl\n0.185472 0.793184 0.009237 Cl\n0.783947 0.176235 0.990762 Cl\n",
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{
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"created_at": "2022-09-04T14:38:29.716458Z",
"updated_at": "2022-09-04T14:38:29.716477Z",
"structure_string": "Fe1 Cu1 C5 N6 O1\n1.0\n6.238744 -0.000000 -3.405820\n-1.859286 5.955248 -3.405820\n0.007229 0.009830 7.430185\nFe Cu C N O\n1 1 5 6 1\ndirect\n0.004189 0.004189 0.008378 Fe\n0.521406 0.521407 0.042813 Cu\n0.827525 0.827526 0.655051 C\n0.802449 0.183478 0.985928 C\n0.802449 0.802450 0.985928 C\n0.183477 0.183478 0.985928 C\n0.183477 0.802450 0.985928 C\n0.302215 0.689904 0.992119 N\n0.721114 0.721115 0.442228 N\n0.689903 0.689904 0.992118 N\n0.302215 0.302215 0.992119 N\n0.155368 0.155368 0.310735 N\n0.689904 0.302215 0.992118 N\n0.260500 0.260500 0.521000 O\n",
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{
"id": "jvasp-112007",
"created_at": "2022-09-04T14:38:41.690930Z",
"updated_at": "2022-09-04T14:38:41.690956Z",
"structure_string": "Sn1 H24 C13 O4\n1.0\n5.012808 -0.013217 1.038620\n-0.145451 6.862983 1.796035\n-0.085167 -0.029635 10.414974\nSn H C O\n1 24 13 4\ndirect\n0.941903 0.647401 0.981296 Sn\n0.603781 0.949868 0.340995 H\n0.699395 0.322763 0.147298 H\n0.517490 0.533972 0.179485 H\n0.188669 0.942043 0.780579 H\n0.138699 0.735584 0.716297 H\n0.426241 0.825222 0.501682 H\n0.819757 0.467784 0.243995 H\n0.004313 0.852755 0.407412 H\n0.257907 0.723389 0.326746 H\n0.393063 0.054400 0.149767 H\n0.068283 0.133669 0.210352 H\n0.864497 0.890346 0.750376 H\n0.482495 0.501081 0.453298 H\n0.757104 0.202995 0.438681 H\n0.900559 0.194365 0.698183 H\n0.961885 0.392614 0.760582 H\n0.652781 0.162846 0.929942 H\n0.325557 0.382350 0.618502 H\n0.425668 0.170038 0.821268 H\n0.919773 0.492103 0.519109 H\n0.585885 0.080781 0.600733 H\n0.154197 0.116962 0.519401 H\n0.320081 0.246154 0.357538 H\n0.685506 0.606238 0.621474 H\n0.575835 0.257331 0.844501 C\n0.345678 0.131347 0.447396 C\n0.809382 0.324349 0.725205 C\n0.738929 0.464675 0.599073 C\n0.513610 0.391866 0.544677 C\n0.564719 0.195226 0.509653 C\n0.438112 0.425119 0.893586 C\n0.202821 0.868636 0.341346 C\n0.407985 0.937859 0.409486 C\n0.080464 0.897552 0.115584 C\n0.713505 0.469526 0.161927 C\n0.047284 0.828871 0.781393 C\n0.188966 0.005806 0.201706 C\n0.855329 0.930199 0.081467 O\n0.567249 0.577564 0.885272 O\n0.184272 0.402990 0.942640 O\n0.225511 0.759289 0.079528 O\n",
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{
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"structure_string": "H12 C22 O8\n1.0\n6.922993 0.103923 3.636588\n2.806657 7.376357 0.518574\n0.048001 0.131666 7.886683\nH C O\n12 22 8\ndirect\n0.637021 0.087202 0.007574 H\n0.947002 0.937667 0.311417 H\n0.241417 0.172278 0.605889 H\n0.758582 0.827723 0.394110 H\n0.679381 0.517645 0.375518 H\n0.320619 0.482356 0.624481 H\n0.052998 0.062334 0.688582 H\n0.619875 0.195276 0.468365 H\n0.221890 0.006239 0.338674 H\n0.778110 0.993761 0.661326 H\n0.362979 0.912798 -0.007574 H\n0.380125 0.804725 0.531635 H\n0.320165 0.383168 0.217652 C\n0.098101 0.164212 0.727909 C\n0.901899 0.835789 0.272091 C\n0.991562 0.237523 0.050971 C\n0.008437 0.762478 0.949029 C\n0.860246 0.385456 0.992506 C\n0.139754 0.614544 0.007494 C\n0.925672 0.343831 0.803412 C\n0.074327 0.656169 0.196588 C\n0.679834 0.616833 0.782348 C\n0.599444 0.663598 0.988053 C\n0.310382 0.449616 0.903460 C\n0.689617 0.550384 0.096540 C\n0.569700 0.172831 0.922393 C\n0.400555 0.336402 0.011946 C\n0.647901 0.122272 0.728011 C\n0.352099 0.877728 0.271988 C\n0.430300 0.827170 0.077607 C\n0.441202 0.765865 0.378803 C\n0.390947 0.396513 0.707533 C\n0.609053 0.603487 0.292466 C\n0.558798 0.234136 0.621197 C\n0.867442 0.890542 0.107293 O\n0.382136 0.293163 0.323678 O\n0.617864 0.706838 0.676321 O\n0.153130 0.552645 0.304151 O\n0.846869 0.447356 0.695848 O\n0.007378 0.782130 0.794171 O\n0.992621 0.217871 0.205829 O\n0.132558 0.109459 0.892707 O\n",
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"created_at": "2022-09-04T14:37:02.373879Z",
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}